1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one

Systemtic Name: 1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one Openeye Name: 1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one CAS Name: 1-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-4-(2-ethoxyphenoxy)-1-butanone IUPAC Name: 1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one Traditional Name: 1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-4-(2-ethoxyphenoxy)butan-1-one Formula: C22H26ClFN2O5S MolecularWeight: 484.968643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCOC1=CC=CC=C1OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C22H26ClFN2O5S/c1-2-30-20-6-3-4-7-21(20)31-15-5-8-22(27)25-11-13-26(14-12-25)32(28,29)17-9-10-19(24)18(23)16-17/h3-4,6-7,9-10,16H,2,5,8,11-15H2,1H3